COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.723  -0.349   6.044  1.00  0.00           C  
HETATM    2  C   UNL     1       0.243   0.085   6.939  1.00  0.00           C  
HETATM    3  C   UNL     1       1.488   0.476   6.492  1.00  0.00           C  
HETATM    4  C   UNL     1       1.792   0.441   5.134  1.00  0.00           C  
HETATM    5  O   UNL     1       3.017   0.827   4.699  1.00  0.00           O  
HETATM    6  C   UNL     1       0.826   0.012   4.221  1.00  0.00           C  
HETATM    7  C   UNL     1       1.126  -0.038   2.777  1.00  0.00           C  
HETATM    8  O   UNL     1       2.273   0.058   2.382  1.00  0.00           O  
HETATM    9  C   UNL     1       0.018  -0.201   1.818  1.00  0.00           C  
HETATM   10  C   UNL     1       0.208   0.035   0.459  1.00  0.00           C  
HETATM   11  O   UNL     1       1.428   0.419   0.007  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.851  -0.118  -0.444  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.569   0.164  -1.897  1.00  0.00           C  
HETATM   14  O   UNL     1       0.699  -0.393  -2.246  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.649  -0.447  -2.785  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.018  -0.005  -2.254  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.038  -0.375  -3.184  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.029   1.487  -2.055  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.773   1.954  -0.971  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.358   2.399  -3.209  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.262  -0.705  -0.918  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.087  -0.511   0.004  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.295  -0.754   1.369  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.519  -1.140   1.806  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.252  -0.601   2.280  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.461  -0.851   3.718  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.460  -1.427   4.104  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.440  -0.391   4.685  1.00  0.00           C  
HETATM   29  C   UNL     1       3.763   1.211   5.855  1.00  0.00           C  
HETATM   30  C   UNL     1       1.456   0.653  -2.858  1.00  0.00           C  
HETATM   31  C   UNL     1       2.919   0.220  -2.976  1.00  0.00           C  
HETATM   32  C   UNL     1       2.995  -1.062  -3.812  1.00  0.00           C  
HETATM   33  N   UNL     1       4.402  -1.404  -4.061  1.00  0.00           N  
HETATM   34  C   UNL     1       2.276  -0.822  -5.144  1.00  0.00           C  
HETATM   35  O   UNL     1       2.994   0.148  -5.907  1.00  0.00           O  
HETATM   36  C   UNL     1       0.861  -0.311  -4.862  1.00  0.00           C  
HETATM   37  O   UNL     1       0.927   0.923  -4.155  1.00  0.00           O  
HETATM   38  C   UNL     1       0.124  -0.100  -6.186  1.00  0.00           C  
HETATM   39  H   UNL     1      -1.694  -0.654   6.405  1.00  0.00           H  
HETATM   40  H   UNL     1       0.019   0.116   7.995  1.00  0.00           H  
HETATM   41  H   UNL     1       2.231   0.811   7.200  1.00  0.00           H  
HETATM   42  H   UNL     1       1.428   1.386  -0.008  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.542   1.242  -2.054  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.577  -1.534  -2.755  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.523  -0.098  -3.810  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.880  -0.095  -2.801  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.316   3.436  -2.876  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.636   2.245  -4.011  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.360   2.175  -3.574  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.410  -1.770  -1.093  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.156  -0.289  -0.454  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.008  -0.333   2.017  1.00  0.00           H  
HETATM   53  H   UNL     1       4.761   1.531   5.554  1.00  0.00           H  
HETATM   54  H   UNL     1       3.255   2.033   6.360  1.00  0.00           H  
HETATM   55  H   UNL     1       3.843   0.362   6.534  1.00  0.00           H  
HETATM   56  H   UNL     1       1.392   1.552  -2.246  1.00  0.00           H  
HETATM   57  H   UNL     1       3.494   1.008  -3.463  1.00  0.00           H  
HETATM   58  H   UNL     1       3.325   0.033  -1.982  1.00  0.00           H  
HETATM   59  H   UNL     1       2.510  -1.877  -3.275  1.00  0.00           H  
HETATM   60  H   UNL     1       4.832  -1.539  -3.159  1.00  0.00           H  
HETATM   61  H   UNL     1       4.404  -2.303  -4.521  1.00  0.00           H  
HETATM   62  H   UNL     1       2.222  -1.757  -5.702  1.00  0.00           H  
HETATM   63  H   UNL     1       2.509   0.268  -6.735  1.00  0.00           H  
HETATM   64  H   UNL     1       0.324  -1.045  -4.261  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.883   0.263  -5.986  1.00  0.00           H  
HETATM   66  H   UNL     1       0.662   0.631  -6.789  1.00  0.00           H  
HETATM   67  H   UNL     1       0.068  -1.045  -6.726  1.00  0.00           H  
CONECT    1    2    2   28   39                                       
CONECT    2    1    1    3   40                                       
CONECT    3    2    4    4   41                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   29                                                 
CONECT    6    4    7   28   28                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   10   25                                       
CONECT   10    9    9   11   12                                       
CONECT   11   10   42                                                 
CONECT   12   10   13   22   22                                       
CONECT   13   12   14   15   43                                       
CONECT   14   13   30                                                 
CONECT   15   13   16   44   45                                       
CONECT   16   15   17   18   21                                       
CONECT   17   16   46                                                 
CONECT   18   16   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   47   48   49                                       
CONECT   21   16   22   50   51                                       
CONECT   22   12   12   21   23                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   52                                                 
CONECT   25    9   23   23   26                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28    1    6    6   26                                       
CONECT   29    5   53   54   55                                       
CONECT   30   14   31   37   56                                       
CONECT   31   30   32   57   58                                       
CONECT   32   31   33   34   59                                       
CONECT   33   32   60   61                                            
CONECT   34   32   35   36   62                                       
CONECT   35   34   63                                                 
CONECT   36   34   37   38   64                                       
CONECT   37   30   36                                                 
CONECT   38   36   65   66   67                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   24                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
